>compound Betaine_Betaine
#instrument UPLC Q-Tof Premier, Waters
>formula C5H11NO2
#smiles [O-1]C(=O)C[N+1](C)(C)C
#RECORD LC-ESI-QTOF_train_data/PR100444.txt;LC-ESI-QTOF_train_data/PR100443.txt
>charge 1
>ionization [M+H]+
>parentmass 118.08677

>collision 30
58.0662 45.06
59.0743 13.83
118.0868 37.37

>collision 5-60
58.067 166.9
59.0751 100.1
118.0868 2183.0

